2-azabicyclo[3.2.2]nonan-4-amine

C8H16N2 — CID 67037505

IUPAC2-azabicyclo[3.2.2]nonan-4-amine
SMILESNC1CNC2CCC1CC2
InChIInChI=1S/C8H16N2/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8,10H,1-5,9H2
InChIKeyIBQVANKJUQORIK-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.48
Rot. Bonds

About 2-azabicyclo[3.2.2]nonan-4-amine

2-azabicyclo[3.2.2]nonan-4-amine (PubChem CID 67037505) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-azabicyclo[3.2.2]nonan-4-amine.

Molecular Properties

Compound Name2-azabicyclo[3.2.2]nonan-4-amine
PubChem CID67037505
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-azabicyclo[3.2.2]nonan-4-amine
SMILESNC1CNC2CCC1CC2
InChIInChI=1S/C8H16N2/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8,10H,1-5,9H2
InChIKeyIBQVANKJUQORIK-UHFFFAOYSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.2]nonan-4-amine?
The IUPAC name of 2-azabicyclo[3.2.2]nonan-4-amine (CID 67037505) is 2-azabicyclo[3.2.2]nonan-4-amine.
What is the SMILES notation for 2-azabicyclo[3.2.2]nonan-4-amine?
The canonical SMILES for 2-azabicyclo[3.2.2]nonan-4-amine is NC1CNC2CCC1CC2.
What is the InChIKey of 2-azabicyclo[3.2.2]nonan-4-amine?
The InChIKey is IBQVANKJUQORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-8-5-10-7-3-1-6(8)2-4-7/h6-8,10H,1-5,9H2.
What are the key properties of 2-azabicyclo[3.2.2]nonan-4-amine?
2-azabicyclo[3.2.2]nonan-4-amine has a molecular weight of 140.23 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.2]nonan-4-amine is sourced from PubChem (CID 67037505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).